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N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]acetamide
SpectraBase Compound ID 3uuRakoBlST
InChI InChI=1S/C9H11NO5/c1-5(11)10-4-6-7(12)14-9(2,3)15-8(6)13/h4H,1-3H3,(H,10,11)
InChIKey MTFABEYWAWZIBT-UHFFFAOYSA-N
Mol Weight 213.19 g/mol
Molecular Formula C9H11NO5
Exact Mass 213.063722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DTHdBmQFXUW
Name N-[(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 213.063722453 u
Formula C9H11NO5
InChI InChI=1S/C9H11NO5/c1-5(11)10-4-6-7(12)14-9(2,3)15-8(6)13/h4H,1-3H3,(H,10,11)
InChIKey MTFABEYWAWZIBT-UHFFFAOYSA-N
Molecular Weight 213.189 g/mol
SMILES C1(C(OC(OC1=O)(C)C)=O)=CNC(=O)C